3-(2H-chromen-2-yl)-1H-indole

C17H13NO — CID 132540240

IUPAC3-(2H-chromen-2-yl)-1H-indole
SMILESC1=CC(c2c[nH]c3ccccc23)Oc2ccccc21
InChIInChI=1S/C17H13NO/c1-4-8-16-12(5-1)9-10-17(19-16)14-11-18-15-7-3-2-6-13(14)15/h1-11,17-18H
InChIKeySCKPDIPLXBXMGE-UHFFFAOYSA-N
MW247.30 g/mol
LogP4.31
Rot. Bonds1

About 3-(2H-chromen-2-yl)-1H-indole

3-(2H-chromen-2-yl)-1H-indole (PubChem CID 132540240) has the molecular formula C17H13NO and a molecular weight of 247.30 g/mol. Its IUPAC name is 3-(2H-chromen-2-yl)-1H-indole.

Molecular Properties

Compound Name3-(2H-chromen-2-yl)-1H-indole
PubChem CID132540240
Molecular FormulaC17H13NO
Molecular Weight247.30 g/mol
Exact Mass247.10
IUPAC Name3-(2H-chromen-2-yl)-1H-indole
SMILESC1=CC(c2c[nH]c3ccccc23)Oc2ccccc21
InChIInChI=1S/C17H13NO/c1-4-8-16-12(5-1)9-10-17(19-16)14-11-18-15-7-3-2-6-13(14)15/h1-11,17-18H
InChIKeySCKPDIPLXBXMGE-UHFFFAOYSA-N
XLogP4.31
TPSA25.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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3-(oxan-2-yl)-1H-indole
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(5S)-5-(1H-indol-3-yl)-1,3-oxazolidine-2,4-dione
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(3S)-3-(1H-indol-3-yl)-3H-2-benzofuran-1-one
CID 36690022
2-ethyl-5-(1H-indol-3-yl)-2,5-dihydro-1,3-oxazole
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(1S,3R)-3-(1H-indol-3-yl)-2,3-dihydro-1H-inden-1-amine
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3-(oxolan-3-yl)-1H-indole
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3-(1-methylpiperidin-4-yl)-1H-indole;dihydrochloride
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3-[2-(4-methylphenyl)-3-nitro-3,4-dihydro-2H-chromen-4-yl]-1H-indole
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Frequently Asked Questions

What is the IUPAC name of 3-(2H-chromen-2-yl)-1H-indole?
The IUPAC name of 3-(2H-chromen-2-yl)-1H-indole (CID 132540240) is 3-(2H-chromen-2-yl)-1H-indole.
What is the SMILES notation for 3-(2H-chromen-2-yl)-1H-indole?
The canonical SMILES for 3-(2H-chromen-2-yl)-1H-indole is C1=CC(c2c[nH]c3ccccc23)Oc2ccccc21.
What is the InChIKey of 3-(2H-chromen-2-yl)-1H-indole?
The InChIKey is SCKPDIPLXBXMGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13NO/c1-4-8-16-12(5-1)9-10-17(19-16)14-11-18-15-7-3-2-6-13(14)15/h1-11,17-18H.
What are the key properties of 3-(2H-chromen-2-yl)-1H-indole?
3-(2H-chromen-2-yl)-1H-indole has a molecular weight of 247.30 g/mol, XLogP of 4.31, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2H-chromen-2-yl)-1H-indole is sourced from PubChem (CID 132540240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).